CID 3820972

404-20-6

Structural Information

Molecular Formula
C9H10F3N
SMILES
C1=CC=C(C=C1)CC(C(F)(F)F)N
InChI
InChI=1S/C9H10F3N/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2
InChIKey
ISYDGOJLGJTVQL-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

189.07654 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.9
[M+Na]+ 212.06576 143.9
[M-H]- 188.06926 136.1
[M+NH4]+ 207.11036 155.9
[M+K]+ 228.03970 141.1
[M+H-H2O]+ 172.07380 128.8
[M+HCOO]- 234.07474 156.1
[M+CH3COO]- 248.09039 184.3
[M+Na-2H]- 210.05121 141.9
[M]+ 189.07599 130.3
[M]- 189.07709 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe